Matricin
precursor
Showing entry for Matricin
Identification
- PhytoHub ID
- PHUB000137
- Name
- Matricin
- Systematic Name
- Not Available
- Synonyms
- Proazulene
- CAS Number
- 29041-35-8
- Average Mass
- 306.358
- Monoisotopic Mass
- 306.146723808
- Chemical Formula
- C17H22O5
- IUPAC Name
- 9-hydroxy-3,6,9-trimethyl-2-oxo-2H,3H,3aH,4H,5H,9H,9aH,9bH-azuleno[4,5-b]furan-4-yl acetate
- InChI Key
- SYTRJRUSWMMZLV-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C17H22O5/c1-8-7-12(21-10(3)18)13-9(2)16(19)22-15(13)14-11(8)5-6-17(14,4)20/h5-6,9,12-15,20H,7H2,1-4H3
- SMILES
CC1C2C(OC1=O)C1C(C=CC1(C)O)=C(C)CC2OC(C)=O
- Structure
Structure for Matricin
Calculated Properties
- Solubility (ALOGPS)
- 8.96e-01 g/l
- LogS (ALOGPS)
- -2.53
- LogP (ALOGPS)
- 1.84
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 2
- Polar Surface Area
- 72.83000000000001
- Refractivity
- 80.54149999999998
- Polarizability
- 31.95338416497454
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -3.133392285683159
- pKa (strongest acidic)
- 14.235042785360863
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Sesquiterpenoids
- Sub-class
- Not Available
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Chamomile tea | Teas and herbal teas | Publications | Show | |
| Roman camomile | Herbs and Spices | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available